1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene

C31H28 — CID 163649628

IUPAC1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
SMILESC=Cc1ccc(Cc2ccc(Cc3ccc(Cc4ccc(C=C)cc4)cc3)cc2)cc1
InChIInChI=1S/C31H28/c1-3-24-5-9-26(10-6-24)21-28-13-17-30(18-14-28)23-31-19-15-29(16-20-31)22-27-11-7-25(4-2)8-12-27/h3-20H,1-2,21-23H2
InChIKeyILDOKZSVAIOJJX-UHFFFAOYSA-N
MW400.57 g/mol
LogP7.74
Rot. Bonds8

About 1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene

1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene (PubChem CID 163649628) has the molecular formula C31H28 and a molecular weight of 400.57 g/mol. Its IUPAC name is 1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene.

Molecular Properties

Compound Name1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
PubChem CID163649628
Molecular FormulaC31H28
Molecular Weight400.57 g/mol
Exact Mass400.22
IUPAC Name1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
SMILESC=Cc1ccc(Cc2ccc(Cc3ccc(Cc4ccc(C=C)cc4)cc3)cc2)cc1
InChIInChI=1S/C31H28/c1-3-24-5-9-26(10-6-24)21-28-13-17-30(18-14-28)23-31-19-15-29(16-20-31)22-27-11-7-25(4-2)8-12-27/h3-20H,1-2,21-23H2
InChIKeyILDOKZSVAIOJJX-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932
(4-ethenylphenyl)methylazanium
CID 86307073
1-(chloromethyl)-4-ethenylbenzene;phosphane
CID 87786462
2-(4-ethenylphenyl)ethane-1,1-diol
CID 166912920
1-ethenyl-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene
CID 20645937
(4-ethenylphenyl)methylphosphanium tetrafluoroborate
CID 174226333
1-ethenyl-4-(phosphorosomethyl)benzene
CID 175486425
1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene
CID 14745002
3-(4-ethenylphenyl)propane-1-thiol
CID 59552728
1,3-bis[2-(4-ethenylphenyl)ethyl]benzene
CID 20738929
1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
N,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 173235754

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene?
The IUPAC name of 1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene (CID 163649628) is 1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene.
What is the SMILES notation for 1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene?
The canonical SMILES for 1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene is C=Cc1ccc(Cc2ccc(Cc3ccc(Cc4ccc(C=C)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene?
The InChIKey is ILDOKZSVAIOJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28/c1-3-24-5-9-26(10-6-24)21-28-13-17-30(18-14-28)23-31-19-15-29(16-20-31)22-27-11-7-25(4-2)8-12-27/h3-20H,1-2,21-23H2.
What are the key properties of 1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene?
1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene has a molecular weight of 400.57 g/mol, XLogP of 7.74, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene is sourced from PubChem (CID 163649628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).